Geometry & MOs

Info

ID:	110237
PubChem CID:	50316462
Reduced:	FO3N4C32H37 (1)
Stoich.:	AB3C4D32E37 (1)
Weight, g/mol:	530.269319
ΔH_f, kcal/mol:	-134.04
Dipole, Da:	1.86
IP(EA), eV:	-8.67(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylphenyl)-1-[1-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC=C4C(C)C

DOS

IR

Vibrations